1,6-naphthyridin-4-amine

• ChemBase ID: 235405
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c12c(N)ccnc1ccnc2
• Canonical SMILES: Nc1ccnc2c1cncc2
• InChI: InChI=1S/C8H7N3/c9-7-1-4-11-8-2-3-10-5-6(7)8/h1-5H,(H2,9,11)
• InChIKey: XQOHGKZCTXPHMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-naphthyridin-4-amine
• IUPAC Traditional name: 1,6-naphthyridin-4-amine
• Synonyms: 1,6-naphthyridin-4-amine; [1,6]NAPHTHYRIDIN-4-YLAMINE

Database IDs

• CAS Number: 28593-08-0
• MDL Number: MFCD01646213
• PubChem SID: 164291315
• PubChem CID: 589352

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.61789536
• LogD (pH = 7.4): 0.057865214
• Log P: 0.08430209
• Molar Refractivity: 42.5228 cm^3
• Polarizability: 17.20781 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 0.846

Product Information

• Purity: 95%; 98%